methyl 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C)CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-10(13(18)19-3)20-14-16-15-12(17(14)2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3